REMARK  Name = BDB004679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.917  -0.672   0.514  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.054   0.121   0.250  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.296  -0.544   0.225  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.443   0.230  -0.054  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.354   1.617  -0.286  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.129   2.262  -0.242  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.363  -1.873   0.466  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.224  -2.520   0.737  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.988   1.519   0.026  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.006  -1.986   0.773  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.824  -0.345  -0.122  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.801   0.356  -0.362  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.984  -1.682   0.089  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.913  -2.075   0.063  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.188  -2.274   0.310  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.357  -0.070   0.539  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.510   0.434  -0.330  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.469  -0.972   0.813  0.00  0.00    +0.138 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -5.770   0.167  -1.583  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.822   0.383  -0.440  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -3.635  -0.357  -0.352  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.760  -0.188   0.731  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.087   0.738   1.731  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.273   1.468   1.658  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.140   1.286   0.581  0.00  0.00    +0.003 A 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4